6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one

C11H13FN2OS — CID 84629701

IUPAC6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one
SMILESCNCCC1Sc2ccc(F)cc2NC1=O
InChIInChI=1S/C11H13FN2OS/c1-13-5-4-10-11(15)14-8-6-7(12)2-3-9(8)16-10/h2-3,6,10,13H,4-5H2,1H3,(H,14,15)
InChIKeyJJVKNTLMZALDKP-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.85
Rot. Bonds3

About 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one

6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 84629701) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one
PubChem CID84629701
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one
SMILESCNCCC1Sc2ccc(F)cc2NC1=O
InChIInChI=1S/C11H13FN2OS/c1-13-5-4-10-11(15)14-8-6-7(12)2-3-9(8)16-10/h2-3,6,10,13H,4-5H2,1H3,(H,14,15)
InChIKeyJJVKNTLMZALDKP-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one with MolForge

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211933
3-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)propanoic acid
CID 84640451
methyl 3-oxo-2-propyl-4H-1,4-benzothiazine-6-carboxylate
CID 23134791
2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 20903340
2-(7-fluoro-3-oxo-4H-1,4-benzothiazin-2-yl)acetonitrile
CID 84624047
6-acetyl-2-butyl-4H-1,4-benzothiazin-3-one
CID 11601366
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluorophenyl)acetamide
CID 51284892
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
6-acetyl-2-ethyl-4H-1,4-benzothiazin-3-one
CID 84614787
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9231906
2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55501868
2-ethyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl chloride
CID 166899697

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one (CID 84629701) is 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one is CNCCC1Sc2ccc(F)cc2NC1=O.
What is the InChIKey of 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is JJVKNTLMZALDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-13-5-4-10-11(15)14-8-6-7(12)2-3-9(8)16-10/h2-3,6,10,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one?
6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 240.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-(methylamino)ethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 84629701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).